SCHEMBL3067905

SCHEMBL3067905

[CH2]CCCCCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BMP1 P13497 1/20 0.39
MGLL Q99685 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5542684 0.98 CA2 (0.49) CA2SMN1; SMN2KCNJ1KCNH2ENPP2
SCHEMBL2045174 0.92 CA2 (0.47) CA2SMN1; SMN2KCNJ1KCNH2ENPP2
SCHEMBL5535777 0.84 ENPP2 (0.46) CA2SMN1; SMN2KCNJ1KCNH2ENPP2
SCHEMBL12040857 0.83 CA2 (0.68) CA2SMN1; SMN2ENPP2CA12CA1
SCHEMBL20883032 0.83 CA2 (0.68) CA2SMN1; SMN2ENPP2CA12CA1
SCHEMBL12204115 0.83 CA2 (0.68) CA2SMN1; SMN2ENPP2CA12CA1
SCHEMBL22792207 0.83 CA2 (0.68) CA2SMN1; SMN2ENPP2CA12CA1
SCHEMBL9776464 0.81 CA2 (0.50) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL14018319 0.81 CA2 (0.70) CA2SMN1; SMN2ENPP2CA12CA1
SCHEMBL8838986 0.79 CA2 (0.53) CA2SMN1; SMN2ENPP2CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 WO disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CA2 1853/4885SMN1; SMN2 3985/4885KCNJ1 3581/4885
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 CA2 1345/4885SMN1; SMN2 3814/4885KCNJ1 3247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.